N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C28H31N5O3/c1-36-24-11-7-10-23(18-24)33-19-21(17-27(33)34)28(35)29-22-9-6-8-20(16-22)25-12-13-26(31-30-25)32-14-4-2-3-5-15-32/h6-13,16,18,21H,2-5,14-15,17,19H2,1H3,(H,29,35)